3-Sulfonatosulfanylprop-1-ene
PubChem CID: 59479946
Connections displayed (default: 10).
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| Topological Polar Surface Area | 90.9 |
|---|---|
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 139.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-sulfonatosulfanylprop-1-ene |
| Prediction Hob | 1.0 |
| Xlogp | 0.1 |
| Molecular Formula | C3H5O3S2- |
| Prediction Swissadme | 1.0 |
| Inchi Key | XYSGBMFRWBTULR-UHFFFAOYSA-M |
| Fcsp3 | 0.3333333333333333 |
| Logs | -0.732 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.18 |
| Compound Name | 3-Sulfonatosulfanylprop-1-ene |
| Prediction Hob Swissadme | 1.0 |
| Exact Mass | 152.968 |
| Formal Charge | -1.0 |
| Monoisotopic Mass | 152.968 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 153.2 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.7115647999999999 |
| Inchi | InChI=1S/C3H6O3S2/c1-2-3-7-8(4,5)6/h2H,1,3H2,(H,4,5,6)/p-1 |
| Smiles | C=CCSS(=O)(=O)[O-] |
| Nring | 0.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Allium Sativum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Aniba Megaphylla (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Berberis Integerrima (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Elephantopus Angustifolius (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Herbertus Sakuraii (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Isoplexis Sceptrum (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Libocedrus Decurrens (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Loranthus Parasiticus (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Sarcocephalus Latifolius (Plant) Rel Props:Source_db:cmaup_ingredients